Cas no 27243-29-4 (1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-methyl-)
27243-29-4 structure
Product Name:1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-methyl-
CAS No:27243-29-4
MF:C7H11N3
MW:137.182340860367
CID:237756
PubChem ID:12328383
Update Time:2025-04-19
1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-methyl-
- 3-(2-methyl-4,5-dihydroimidazol-1-yl)propanenitrile
- 27243-29-4
- SCHEMBL1971537
- DTXSID30490031
- 1-(2-cyanoethyl)-2-methyl-2-imidazoline
- 3-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)propanenitrile
-
- Inchi： 1S/C7H11N3/c1-7-9-4-6-10(7)5-2-3-8/h2,4-6H2,1H3
- InChI Key： LPKBBKNLTOGNOU-UHFFFAOYSA-N
- SMILES： N1(C(C)=NCC1)CCC#N
Computed Properties
- Exact Mass: 137.095297364g/mol
- Monoisotopic Mass: 137.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 39.4?2
1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-methyl- Related Literature
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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